Information card for entry 7123164

Structure parameters

• Formula: C24 H16 F N O3 S
• Calculated formula: C24 H16 F N O3 S
• Title of publication: Cascade Rh(II) and Yb(III) Catalyzed Synthesis of Substituted Naphthofurans via Transannulation of N-Sulfonyl-1,2,3-triazoles with β-naphthols
• Authors of publication: Kaladevi, Selvam; M., Kamalraj; Altia, Minakshi; Rajasekar, Shanmugam; Anbarasan, Pazhamalai
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.6476 ± 0.0004 Å
• b: 18.6071 ± 0.0008 Å
• c: 12.6906 ± 0.0008 Å
• α: 90°
• β: 105.254 ± 0.0018°
• γ: 90°
• Cell volume: 1970.06 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No